HRID1141862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7656

Dibenzylamine

C14H15N

HCID8471

Triethylamine

C6H15N

HCID45588416

Ethyl 4-amino-6-chloro-5-nitropyridine-3-carboxylate

C8H8ClN3O4

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1N

HCID69064703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a99007d94de6432a8259ceea6ec89073
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH2:23]([CH3:24])[O:25][C:26](=[O:27])[c:28]1[cH:29][n:30][c:31]([Cl:38])[c:32]([N+:35](=[O:36])[O-:37])[c:33]1[NH2:34].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:31]1[n:30][cH:29][c:28]([C:26]([O:25][CH2:23][CH3:24])=[O:27])[c:33]([NH2:34])[c:32]1[N+:35](=[O:36])[O-:37]